1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

C21H23N3O5S — CID 121398519

IUPAC1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCOc1ccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)cc1
InChIInChI=1S/C21H23N3O5S/c1-21(10-11-21)22-30(27,28)16-8-9-18-17(12-16)19(25)23(2)20(26)24(18)13-14-4-6-15(29-3)7-5-14/h4-9,12,22H,10-11,13H2,1-3H3
InChIKeyTUQISOXZEWPWAS-UHFFFAOYSA-N
MW429.50 g/mol
LogP1.59
Rot. Bonds6

About 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide

1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (PubChem CID 121398519) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
PubChem CID121398519
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
SMILESCOc1ccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)cc1
InChIInChI=1S/C21H23N3O5S/c1-21(10-11-21)22-30(27,28)16-8-9-18-17(12-16)19(25)23(2)20(26)24(18)13-14-4-6-15(29-3)7-5-14/h4-9,12,22H,10-11,13H2,1-3H3
InChIKeyTUQISOXZEWPWAS-UHFFFAOYSA-N
XLogP1.59
TPSA99.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-Dihydro-2-(4-methoxyphenyl)-4(3H)-quinazolinone
CID 484118
4-[2-(6-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044834
4-[2-(7-methoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)ethyl]benzenesulfonamide
CID 127044835
3-Benzyl-2-(4-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 2887831
1-[(3-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide
CID 121398203
N-[2-(4-methoxyphenyl)ethyl]-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1298197
N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
CID 2109848
[3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxyphenyl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 2119296
N~3~-[(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-6-yl)sulfonyl]-N~1~-(4-methoxyphenyl)-beta-alaninamide
CID 3237938
N-[2-(4-methoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]-4-methylbenzenesulfonamide
CID 4406469
N-(2,4-Dimethoxyphenyl)-3-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamido)propanamide
CID 9550308
N-{2-[4-(aminosulfonyl)phenyl]ethyl}-3-(4-methoxybenzyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxamide
CID 16003833

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide (CID 121398519) is 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is COc1ccc(Cn2c(=O)n(C)c(=O)c3cc(S(=O)(=O)NC4(C)CC4)ccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
The InChIKey is TUQISOXZEWPWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-21(10-11-21)22-30(27,28)16-8-9-18-17(12-16)19(25)23(2)20(26)24(18)13-14-4-6-15(29-3)7-5-14/h4-9,12,22H,10-11,13H2,1-3H3.
What are the key properties of 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide?
1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide has a molecular weight of 429.50 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-3-methyl-N-(1-methylcyclopropyl)-2,4-dioxoquinazoline-6-sulfonamide is sourced from PubChem (CID 121398519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).